N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-fluoranyl-4-methyl-phenyl)sulfonylpiperidin-4-yl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-fluoranyl-4-methyl-phenyl)sulfonylpiperidin-4-yl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-fluoro-4-methyl-phenyl)sulfonyl-4-piperidyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-fluoro-4-methylphenyl)sulfonyl-4-piperidinyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-(3-fluoro-4-methyl-phenyl)sulfonyl-4-piperidyl]-6-methyl-N-piperonyl-nicotinamide Formula: C27H28FN3O5S MolecularWeight: 525.591723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=C(C=CC(=N3)C)C(=O)NCC4=CC5=C(C=C4)OCO5)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=C(C=CC(=N3)C)C(=O)NCC4=CC5=C(C=C4)OCO5)F

InChI

InChI=1S/C27H28FN3O5S/c1-17-3-6-21(14-23(17)28)37(33,34)31-11-9-20(10-12-31)26-22(7-4-18(2)30-26)27(32)29-15-19-5-8-24-25(13-19)36-16-35-24/h3-8,13-14,20H,9-12,15-16H2,1-2H3,(H,29,32)